2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid

C10H13NO2 — CID 66603503

IUPAC2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-4-5-11-8(6-7)10(2,3)9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyCLVIVANVHDUWCV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid

2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid (PubChem CID 66603503) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid
PubChem CID66603503
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccnc(C(C)(C)C(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-4-5-11-8(6-7)10(2,3)9(12)13/h4-6H,1-3H3,(H,12,13)
InChIKeyCLVIVANVHDUWCV-UHFFFAOYSA-N
XLogP1.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid (CID 66603503) is 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid is Cc1ccnc(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid?
The InChIKey is CLVIVANVHDUWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-5-11-8(6-7)10(2,3)9(12)13/h4-6H,1-3H3,(H,12,13).
What are the key properties of 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid?
2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 66603503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).